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Add WiSE electrolyte benchmark (density, X-ray S(q), Li-O RDF)
Three sub-benchmarks for 21 m LiTFSI/H2O with 6 MLIP models (matpes-r2scan, mace-mpa-0-medium, mace-omat-0-medium, mace-mp-0b3, mace-mh-1-omat, mace-mh-1-omol): - NPT density vs Gilbert et al. JCED 2017 - X-ray structure factor S(q) vs SAXS experiment - Li-O RDF coordination numbers vs Watanabe et al. JPCB 2021
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# 10.1021/acs.jpcb.1c02189
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# q / A-1 S(q)
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0.20849 -0.14530
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0.27792 -0.13506
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0.34735 -0.12067
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0.41678 -0.10336
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0.45728 -0.08727
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0.49200 -0.06776
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0.52671 -0.04801
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0.55178 -0.02997
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0.57493 -0.00949
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0.59036 0.01014
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0.61598 0.03412
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0.64243 0.06049
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0.91436 1.05943
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0.90858 1.03504
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0.90858 1.01993
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0.92842 1.12024
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0.92015 1.09454
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0.92015 1.07991
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0.93999 1.17479
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0.93172 1.15208
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0.92015 1.14135
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